Sitoindoside IV

Base Information

• Chemical Name: Sitoindoside IV
• CAS No.: 98941-86-7
• Molecular Formula: C₅₇H₁₀₀O₁₂
• Molecular Weight: 977.414
• DSSTox Substance ID: DTXSID60912978
• Wikidata: Q82883475
• Mol file: 98941-86-7.mol

Synonyms:3-(2''-O-palmitoyl-myo-inosityl-(1''-6')-glucopyranoside)sitosterol;sitoindoside IV;sitoindoside-IV

Chemical Property of Sitoindoside IV

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 920.6°C at 760 mmHg
• Flash Point: 242°C
• PSA: 195.60000
• Density: 1.15g/cm³
• LogP: 9.09220
• XLogP3: 12.4
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 27
• Exact Mass: 976.72147862
• Heavy Atom Count: 69
• Complexity: 1580

Purity/Quality:

SITOINDOSIDE IV 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OC1C(C(C(C(C1OCC2C(C(C(C(O2)OC3CCC4(C5CCC6(C(C5CC=C4C3)CCC6C(C)CCC(CC)C(C)C)C)C)O)O)O)O)O)O)O